NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0068 8.2127 108.0355 46.4251 0.0000 171.6264 3 R 4.9187 8.5209 123.3718 52.8808 32.2589 175.2572 4 F 4.8700 8.2282 119.9663 56.2815 42.3620 172.0881 5 V 4.5563 8.3591 118.4464 60.9305 33.7368 174.5335 6 V 4.5914 8.5922 126.7798 60.8776 34.3341 174.1705 7 W 5.0334 9.0644 126.6780 54.2811 31.7567 175.1733 8 P 4.3617 0.0000 0.0000 65.7430 31.3753 178.8259 9 S 4.2121 8.4046 112.3252 61.2911 62.9766 176.2795 10 E 4.4788 8.5541 119.9529 58.0156 29.5054 178.0084 11 L 4.5664 8.1501 116.9669 54.2266 42.7190 175.2230 12 D 5.0209 7.7415 120.4586 52.9090 40.9935 176.9073 13 S 4.3121 8.8105 122.8819 60.4846 63.2388 176.4948 14 R 4.1034 8.2842 119.8427 57.9247 30.1408 176.5190 15 L 4.5794 7.5346 117.8681 52.9101 43.3891 176.5892 16 S 4.5591 8.1886 116.3375 57.4267 64.3662 175.3706 17 R 4.4199 8.4660 119.0680 58.7933 29.9627 179.5892 18 K 4.0207 8.2524 116.1275 58.9297 32.1763 177.1279 19 Y 4.4370 8.1684 114.8439 57.6805 38.0778 175.7572 20 G 3.8788 7.8242 111.0858 45.7762 0.0000 175.0203 21 R 4.7698 8.1234 120.6524 56.0294 30.7270 176.6373 22 I 4.3246 8.4236 124.6672 62.1179 39.6285 176.9648 23 V 3.9902 7.5863 111.8759 59.8138 32.5035 174.1679 24 P 4.4007 0.0000 0.0000 62.5977 32.2375 177.6694 25 R 3.9353 8.9237 121.1835 59.7162 30.0694 178.9455 26 S 4.3883 8.0223 109.8037 59.9719 63.4223 174.5515 27 I 4.2494 7.5021 120.0836 61.4420 38.6300 175.9502 28 A 4.3011 7.4102 120.5082 52.0989 18.9168 177.3076 29 V 4.5328 8.3745 112.7379 59.1073 35.7712 174.7466 30 E 4.1536 8.7046 123.9581 56.1122 29.9338 177.1554 31 S 3.6970 8.8495 123.1969 59.0569 60.3628 170.7249 32 P 4.5151 0.0000 0.0000 62.7355 32.4959 177.5774 33 R 4.6168 8.8138 121.6942 54.3004 33.3983 177.8264 34 V 3.5899 8.2406 120.1182 66.5445 31.4634 177.8871 35 E 3.8866 8.2286 118.2022 59.3675 29.2422 178.6355 36 E 3.8269 7.9102 118.0703 59.4035 29.6169 179.0597 37 I 3.7379 7.8118 119.8591 64.3425 37.1369 178.7240 38 V 3.5589 7.9777 119.1593 65.8849 31.3941 178.0371 39 R 3.7679 7.9277 118.2516 59.2768 29.8915 178.2362 40 A 4.2941 8.3165 120.6253 55.2777 18.3593 179.2943 41 A 3.8775 8.2604 119.4224 55.5719 18.5757 179.7825 42 E 3.9195 8.2488 116.9358 59.6213 29.3007 179.4998 43 E 4.0923 8.2267 117.7058 58.8591 29.6160 178.3974 44 L 4.0613 7.4065 116.4829 54.1909 41.7469 177.4385 45 K 3.9888 7.4599 117.0909 56.8875 30.0537 176.1546 46 F 4.9472 7.9121 117.6093 57.4497 39.9818 175.0767 47 K 4.3376 9.0077 121.3858 55.6509 33.5333 176.2452 48 V 4.1882 8.3577 125.6666 62.1389 31.3272 175.3576 49 I 4.0737 8.5529 130.2192 63.7318 37.7989 176.7005 50 R 4.6803 7.5270 119.8982 54.9869 33.7113 173.7622 51 V 4.7990 8.2332 123.3652 61.3209 34.4649 174.1628 52 E 4.7856 9.7165 129.6759 55.6658 32.8540 176.1651 53 E 5.5211 8.5048 119.3525 55.9786 31.5662 173.6306 54 D 4.9859 9.3286 125.7450 52.7576 43.4502 175.4814 55 K 5.2225 8.6644 120.5134 54.6852 35.4286 175.5387 56 L 4.9351 9.0443 123.9345 52.7043 45.5973 175.6466 57 N 4.6789 8.8487 121.8847 52.7874 39.3890 172.7738 58 P 4.2111 0.0000 0.0000 65.2421 31.9544 175.7886 *66 E 4.0689 7.6903 117.7523 55.4489 30.5735 175.6343 67 L 4.1987 8.4768 125.9149 55.0048 42.3896 176.4988 68 R 4.2901 8.8175 120.6117 55.5683 31.1126 175.4743 69 T 4.7461 8.0839 119.9082 62.2684 70.5004 174.4107 70 F 4.7643 9.8508 124.4812 55.9449 42.0111 174.0683 71 G 4.5867 8.8754 110.9490 44.8724 0.0000 171.5417 72 M 4.9134 8.7756 121.7080 54.0239 36.4276 173.4288 73 I 4.8012 8.4705 126.4777 59.4674 40.7866 174.5103 74 V 4.2344 8.5813 128.1198 61.8629 32.8365 174.8085 75 L 5.1280 8.7405 127.2289 52.8041 45.9415 175.0599 76 E 4.9462 8.8221 120.7549 54.6584 32.1032 175.2553 77 S 4.5716 8.6810 118.4953 55.8468 65.4436 172.4109 78 P 4.1936 0.0000 0.0000 64.0482 31.3690 175.7310 79 Y 4.8369 7.3935 115.5712 55.3764 40.8489 175.9854 80 G 3.7773 8.3259 107.6588 44.0825 0.0000 174.5622 81 K 2.5031 8.0055 120.9574 58.9902 31.8791 178.5382 82 S 3.9710 7.8281 112.6701 61.5390 62.3161 176.0339 83 K 3.9414 7.9097 121.5631 59.4313 31.9188 178.7684 84 S 4.3817 8.2795 115.7687 61.6784 62.7151 176.6192 85 L 4.1013 8.4075 122.0369 57.7154 41.3528 179.7326 86 K 3.9728 7.9010 118.2222 59.5579 32.0543 179.3436 87 L 4.0223 8.1289 119.1902 57.8371 41.4249 179.7616 88 I 3.7810 8.2266 119.6464 64.3358 37.1159 178.3135 89 A 4.1070 8.4648 124.3040 55.9654 18.2157 180.3674 90 Q 3.9966 8.2737 119.2224 60.1333 28.0926 180.6058 91 K 4.0360 8.1324 121.4427 59.3732 32.2634 179.0464 92 I 3.9787 8.2295 120.5468 64.4346 37.0903 178.2777 93 R 3.9401 8.1680 119.7488 59.4086 29.8995 178.3613 94 E 3.9134 8.1733 117.3761 59.3857 29.5337 178.9128 95 F 4.2014 8.2125 118.9920 60.5890 38.8400 177.9592 96 R 4.0275 8.0006 115.9806 59.1458 29.8781 179.0630 97 R 4.1391 7.9237 119.4835 60.0613 30.1907 179.2609 98 R 4.2872 7.6853 118.7323 60.8309 29.4384 178.6025 99 S 4.1411 8.0172 119.7370 59.1044 62.7631 174.7413 100 A 4.0668 8.5965 127.4645 52.6268 18.4009 176.7550 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 G 8.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.52 4.92 0.00 1.80 1.76 0.00 3.18 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 4 F 8.23 4.87 0.00 3.05 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.36 4.56 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.75 0.00 0.00 6 V 8.59 4.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.12 0.00 0.00 7 W 9.06 5.03 0.00 3.45 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.36 0.00 2.25 2.36 0.00 3.88 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 9 S 8.40 4.21 0.00 4.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.55 4.48 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 11 L 8.15 4.57 0.00 1.86 1.71 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.74 5.02 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.81 4.31 0.00 4.04 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.28 4.10 0.00 1.94 2.01 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 15 L 7.53 4.58 0.00 1.78 1.65 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.19 4.56 0.00 4.07 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.47 4.42 0.00 1.93 2.05 0.00 3.42 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 18 K 8.25 4.02 0.00 2.03 1.87 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.57 7.81 19 Y 8.17 4.44 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.12 4.77 0.00 2.02 1.98 0.00 3.30 0.00 0.00 3.52 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 22 I 8.42 4.32 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.94 0.00 0.00 23 V 7.59 3.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 24 P 0.00 4.40 0.00 2.18 1.98 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 25 R 8.92 3.94 0.00 1.87 2.02 0.00 3.13 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 26 S 8.02 4.39 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.50 4.25 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.93 0.00 0.00 28 A 7.41 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.37 4.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 30 E 8.70 4.15 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 31 S 8.85 3.70 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.52 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 33 R 8.81 4.62 0.00 1.83 1.82 0.00 3.14 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 34 V 8.24 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 35 E 8.23 3.89 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 36 E 7.91 3.83 0.00 2.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 37 I 7.81 3.74 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.96 0.00 0.00 38 V 7.98 3.56 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 39 R 7.93 3.77 0.00 1.78 1.66 0.00 2.21 0.00 0.00 2.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.39 0.00 40 A 8.32 4.29 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 3.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.25 3.92 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 43 E 8.23 4.09 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.93 0.00 44 L 7.41 4.06 0.00 0.62 0.67 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.46 3.99 0.00 2.02 2.01 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.56 7.81 46 F 7.91 4.95 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.01 4.34 0.00 1.61 1.71 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.50 7.81 48 V 8.36 4.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 49 I 8.55 4.07 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.84 0.86 0.00 0.00 50 R 7.53 4.68 0.00 1.80 1.64 0.00 3.10 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 51 V 8.23 4.80 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 52 E 9.72 4.79 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 53 E 8.50 5.52 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 54 D 9.33 4.99 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.66 5.22 0.00 1.63 1.71 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.46 7.81 56 L 9.04 4.94 0.00 1.81 1.62 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.85 4.68 0.00 2.71 2.75 0.00 0.00 7.11 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.21 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *66 E 7.69 4.07 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 67 L 8.48 4.20 0.00 1.67 1.61 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.82 4.29 0.00 1.52 1.97 0.00 3.02 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 69 T 8.08 4.75 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 70 F 9.85 4.76 0.00 3.02 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.88 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.78 4.91 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 73 I 8.47 4.80 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.86 0.00 0.00 74 V 8.58 4.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.82 0.00 0.00 75 L 8.74 5.13 0.00 0.64 1.10 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.82 4.95 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 77 S 8.68 4.57 0.00 2.72 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.19 0.00 1.10 1.77 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 79 Y 7.39 4.84 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.33 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.01 2.50 0.00 1.01 1.48 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 0.94 7.81 82 S 7.83 3.97 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.91 3.94 0.00 1.81 1.77 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.25 1.37 7.81 84 S 8.28 4.38 0.00 3.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.41 4.10 0.00 1.81 1.77 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.90 3.97 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 87 L 8.13 4.02 0.00 2.03 1.76 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.23 3.78 2.14 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 1.01 0.00 0.00 89 A 8.46 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.27 4.00 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 91 K 8.13 4.04 0.00 2.03 2.01 0.00 1.30 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.44 1.22 7.81 92 I 8.23 3.98 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.98 0.00 0.00 93 R 8.17 3.94 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 94 E 8.17 3.91 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 95 F 8.21 4.20 0.00 3.32 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.00 4.03 0.00 2.00 2.03 0.00 3.21 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 97 R 7.92 4.14 0.00 2.00 1.99 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 98 R 7.69 4.29 0.00 1.92 1.87 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 99 S 8.02 4.14 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.60 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.